1,4-Dioxane → HCID 69508187, compound
Reaction equation
[F:12][C:13]([F:14])([F:15])[c:16]1[c:17]([O:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:18]([C:22]2=[C:23]([c:27]3[cH:28][n:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35]3)[CH2:24][CH2:25][CH2:26]2)[cH:19][cH:20][cH:21]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:7])[cH:8][cH:9][cH:10]1)=[O:11]>>[O-:1][n+:29]1[cH:28][c:27]([C:23]2=[C:22]([c:18]3[c:17]([O:36][CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:16]([C:13]([F:12])([F:14])[F:15])[cH:21][cH:20][cH:19]3)[CH2:26][CH2:25][CH2:24]2)[cH:35][c:31]([C:32](=[O:33])[OH:34])[cH:30]1Participants
4
Sources & evidence
- ORD record
- ord-907f138e7e5446e5814c985f6a6d2855
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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